| CAS Number | 1283108-80-4 |
| Catalog Number | AG01APNI(AGN-PC-0WCO31) |
| Chemical Name | 3-acetyl-6-chloro-4-(4-methylphenyl)-1,2-dihydroquinolin-2-one |
| IUPAC Name | 3-acetyl-6-chloro-4-(4-methylphenyl)-1H-quinolin-2-one |
| InChI | InChI=1S/C18H14ClNO2/c1-10-3-5-12(6-4-10)17-14-9-13(19)7-8-15(14)20-18(22)16(17)11(2)21/h3-9H,1-2H3,(H,20,22) |
| InChI Key | JVIZWKNKSFAFGB-UHFFFAOYSA-N |
| MDL Number | MFCD21091975 |
| Molecular Formula | C18H14ClNO2 |
| Molecular Weight | 311.7623 |
| SMILES | CC(C1C(=O)NC2=C(C=C(C=C2)Cl)C=1C1=CC=C(C)C=C1)=O |
| Synonyms | 3-acetyl-6-chloro-4-(4-methylphenyl)quinolin-2(1H)-one,
1283108-80-4,
SCHEMBL19863777,
3-acetyl-6-chloro-4-(4-methylphenyl)-1H-quinolin-2-one,
ZINC61957974,
AKOS015958176,
MCULE-5615187925,
L-4419,
F2147-0910,
3-acetyl-6-chloro-4-(4-methylphenyl)-1,2-dihydroquinolin-2-one,
|
| Complexity | 505 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 311.071g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 22 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 311.765g/mol |
| Monoisotopic Mass | 311.071g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 46.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number